CHEBI:69697 - 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-

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ChEBI Name 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-
ChEBI ID CHEBI:69697
Definition A natural product found in Pestalotiopsis virgatula.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H12O4
Net Charge 0
Average Mass 220.22130
Monoisotopic Mass 220.07356
InChI InChI=1S/C12H12O4/c1-8(13)12(15)6-5-9-3-2-4-11(14)10(9)7-16-12/h2-6,14-15H,7H2,1H3
InChIKey KBJPQCHSYKRGBW-UHFFFAOYSA-N
SMILES CC(=O)C1(O)OCc2c(O)cccc2C=C1
Metabolite of Species Details
Pestalotiopsis virgatula (NCBI:txid290289) Found in mycelium (BTO:0001436). Endophytic fungus derived from the plant Terminalia chebula. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- (CHEBI:69697) has role metabolite (CHEBI:25212)
1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- (CHEBI:69697) is a oxacycle (CHEBI:38104)
Citation Waiting for Citations Type Source
21942847 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:ketone(CHEBI:17087); ISA:hemiacetal(CHEBI:5653); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);